Molecular Properties | |
SMILES: | CNc1nc(CN2CCN(C(=O)CCl)CC2)ncc1-c1ccsc1 |
MW: | 365.89 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 61.36 |
cLogP: | 2.1298 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-e4a48a85-22
0.500
MAK-UNK-e4a48a85-21
0.455
MAK-UNK-212f693e-8
0.453
LON-WEI-8f408cad-7
0.453
AAR-POS-0daf6b7e-13
0.453
MAK-UNK-e4a48a85-25
0.433
MAK-UNK-e4a48a85-20
0.427
MED-COV-4280ac29-19
0.418
DRR-IMP-38dce17f-4
0.405
SAD-SAT-5b1897b2-2
0.395
DRR-IMP-38dce17f-5
0.392
MED-COV-4280ac29-25
0.389
MAK-UNK-af83ef51-1
0.384
MAK-UNK-e4a48a85-8
0.380
LON-WEI-8f408cad-5
0.375
AAR-POS-0daf6b7e-17
0.375
SAD-SAT-bc31ec01-1
0.375
DRR-IMP-38dce17f-6
0.372
AAR-POS-d2a4d1df-24
0.366
JOK-SYG-18591e8f-1
0.365
DRR-IMP-38dce17f-3
0.364
MAK-UNK-7c9d1431-24
0.364
MAK-UNK-7c9d1431-29
0.359
MED-COV-4280ac29-8
0.359
NAU-LAT-64f4b287-3
0.359
AAR-POS-0daf6b7e-2
0.358
MAK-UNK-7c9d1431-28
0.358
MAK-UNK-849bee6c-4
0.357
MAK-UNK-e4a48a85-27
0.356
MAK-UNK-e4a48a85-2
0.355
MAK-UNK-6ca90168-20
0.354
JOH-UNI-27ac80fd-23
0.354
MED-COV-4280ac29-15
0.354
JOH-UNI-0e1753c1-3
0.354
HYO-UNK-49a60884-1
0.354
AAR-POS-d2a4d1df-35
0.354
MAR-LAB-ca4662a6-2
0.354
AAR-POS-0daf6b7e-12
0.354
MAK-UNK-849bee6c-7
0.351
MAK-UNK-212f693e-7
0.350
MAT-POS-2db6411e-2
0.349
SAD-SAT-581007d4-7
0.349
BRU-LEF-ae0885ba-1
0.348
PAU-UNI-52c0427f-1
0.348
DAR-DIA-fb20be43-4
0.348
DRR-IMP-38dce17f-2
0.345
ASH-SAT-43770c7d-5
0.345
MAT-POS-ee51dedd-1
0.345
MAK-UNK-e4a48a85-1
0.344
DAR-DIA-fb20be43-1
0.344
MAK-UNK-849bee6c-16
0.343
MAK-UNK-849bee6c-18
0.343
MAK-UNK-6ca90168-14
0.341
DRR-IMP-38dce17f-7
0.341
MED-COV-4280ac29-33
0.341
STE-KUL-2e0d2e88-7
0.341
DAR-DIA-fb20be43-5
0.340
STU-CHA-464c0256-1
0.340
PAU-UNI-8cdd41c7-1
0.338
MAK-UNK-212f693e-9
0.337
DAV-CRI-d1e0885a-6
0.337
MAK-UNK-849bee6c-14
0.337
MAK-UNK-849bee6c-9
0.333
MAK-UNK-176ca439-3
0.333
TAM-UNI-d1c3dd9f-6
0.333
MED-COV-4280ac29-1
0.333
MAK-UNK-7c9d1431-20
0.333
JIA-UNI-93b03cae-1
0.333
MAK-UNK-cd94b63c-1
0.333
SAD-SAT-581007d4-2
0.333
MAK-UNK-849bee6c-12
0.330
JOH-UNI-27ac80fd-38
0.330
MAK-UNK-7c9d1431-18
0.330
PAU-UNI-b2b6b158-1
0.330
MAR-TRE-6a44bbf2-54
0.330
MAK-UNK-7c9d1431-14
0.330
MAK-UNK-7c9d1431-16
0.330
DAV-CRI-d1e0885a-1
0.330
SAD-SAT-5b1897b2-5
0.330
NEH-REV-107bcf72-5
0.329
MAK-UNK-212f693e-13
0.329
DRR-IMP-38dce17f-1
0.329
BOG-INS-0b2b845a-1
0.327
MAK-UNK-849bee6c-17
0.327
MAK-UNK-849bee6c-5
0.327
MAK-UNK-176ca439-2
0.327
MAK-UNK-849bee6c-6
0.327
ANT-STE-dbb91f63-1
0.326
JOO-PER-58e158bd-1
0.326
FAB-UNK-7ad5ab26-2
0.324
DAV-CRI-d1e0885a-5
0.323
TAM-UNI-d1c3dd9f-16
0.323
SEL-UNI-cd366922-6
0.322
MAK-UNK-7c9d1431-21
0.322
MAT-POS-ee51dedd-2
0.321
DAV-CRI-d1e0885a-2
0.320
STE-UNK-13e151dd-1
0.319
DAV-CRI-d1e0885a-4
0.319
MAK-UNK-849bee6c-23
0.318
MAK-UNK-af83ef51-20
0.318